4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine

C15H19FN6O2 — CID 140507690

IUPAC4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(N)nc(NC3CCCOC3)n2)cc1F
InChIInChI=1S/C15H19FN6O2/c1-23-12-5-4-9(7-11(12)16)18-14-20-13(17)21-15(22-14)19-10-3-2-6-24-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H4,17,18,19,20,21,22)
InChIKeyJMYNPXDJRIEEME-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.94
Rot. Bonds5

About 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine

4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 140507690) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID140507690
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(N)nc(NC3CCCOC3)n2)cc1F
InChIInChI=1S/C15H19FN6O2/c1-23-12-5-4-9(7-11(12)16)18-14-20-13(17)21-15(22-14)19-10-3-2-6-24-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H4,17,18,19,20,21,22)
InChIKeyJMYNPXDJRIEEME-UHFFFAOYSA-N
XLogP1.94
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine (CID 140507690) is 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(N)nc(NC3CCCOC3)n2)cc1F.
What is the InChIKey of 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JMYNPXDJRIEEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c1-23-12-5-4-9(7-11(12)16)18-14-20-13(17)21-15(22-14)19-10-3-2-6-24-8-10/h4-5,7,10H,2-3,6,8H2,1H3,(H4,17,18,19,20,21,22).
What are the key properties of 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine?
4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 334.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(oxan-3-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 140507690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).